Recent Publications

08.10.2019 – Publication by Organic Spintronics Team published in Phys. Rev. B

A publication by the Organic Spintronics Team (OST) revising the established method for calculation of molecular spin admixture parameters from first-principles electronic structure theory has been published in Physical Review B. Spin states in a semi-conductor or molecule are a mixture of up and down, because of spin-orbit coupling (SOC). Spin admixture is one of the main ways in which SOC influences the spin dynamics in a molecular material.

The revised method for calculating spin admixture improves on a number of approximations made in the previous method, resulting in greater accuracy and transferability. Still, this method relies on efficient, standard electronic structure theory only, making it easy to implement, and suitable for large-scale calculations.

Molecules in which the new spin admixture method has been evaluated. a) Benzene and thiophene, b) biphenyl, and c) M-phthalocyanines, for M = VO, Mn, Co, Cu.

30.07.2019 – Publication by Organic Spintronics Team published in the Journal of Physical Chemistry C

A publication by the Organic Spintronics Team (OST) has been published in the Journal of Physical Chemistry C.
This paper presents an application of the recently developed technique for predictions of spin-admixture in molecules. As a computationally robust and efficient, "high-throughput" technique, it is used to describe general trends of in the spin admixture of several classes of molecules, from complex single-molecule magnets to organic polymers. The results emphasize the often counterintuitive variations of molecular spin-orbit coupling with molecular chemical composition and structure.

25.07.2019 – Joint publication by INSPIRE group appears as Editor’s Suggestions in Physical Review B

A joint publication by the INSPIRE group and collaborators from the Technical University of Dortmund
and Radboud University has been published in the Physical Review B as Editor's Suggestions.

This paper presents an investigation of ultrafast dynamics in antiferromagnets which is a part of a developing field of an Antiferromagnetic spintronics.By performing magneto-optical pump-probe experiments we excite coherent longitudinal oscillations of the antiferromagnetic order parameter that cannot be described by a thermodynamic Landau-Lifshitz approach. We interpret these oscillations as manifestation of an entanglement of pairs of magnons generated by femtosecond optical pulses. The results open a way to creation and manipulation of quantum entanglement in antiferromagnetic systems at macroscopic scales.

04.06.2019 – Joint publication by Organic Spintronics Team published in Nature Physics

A joint publication by the Organic Spintronics Team (OST) and collaborators from the ERC Synergy Project, the Max-Planck Institute for Polymer Research in Mainz and the University in Mons (Belgium) has been published in Nature Physics.
This paper presents a novel experimental perspective on spin and charge dynamics in high-mobility polymers, supported by calculations of the spin admixture distribution in realistic, large-scale polymer morphology models performed by the OST.

19.02.2019 – Joint publication by Organic Spintronics Team published in Nature Electronics

A joint publication by the Organic Spintronics Team and other ERC Synergy Project collaborators has been published in Nature Electronics. This paper presents experimental measurements of extremely long spin diffusion lengths in high-mobility organic polymer materials.
Modeling by the Organic Spintronics Team explains this finding in terms of the weak up-down spin mixing found in planar conjugated polymers with weak spin-orbit coupling.

09.03.2018 – Combined SPEX and DFT study on the surface reconstruction of 2Fe/Ir(111)

The study of Melanie and Bertrand Dupé on "Revealing the correlation between real-space structure and chiral magnetic order at the atomic scale" has just been published in Physical Review B as Rapid Communication. This work is a collaboration with the the Scanning Probe Microscopy Group of Alexander A. Khajetoorians at the Radboud University in Nijmegen, The Netherlands.

09.02.2018 – Antiferromagnetic resonance in Mn2Au with Neel Spin-Orbit Torques

The team of Jure Demnsar, in collaboration with Gomonay and Sinova,  have been able to excite antiferromagnetic resonance in Mn2Au by exploiting the Neel spin-orbit Torque.

N. Bhattacharjee, A.A. Sapozhnik, S.Yu. Bodnar, V.Yu. Grigorev, S.Y. Agustsson, J. Cao, D. Dominko, M. Obergfell, O. Gomonay, J. Sinova, M. Kläui, H.-J. Elmers, M. Jourdan, J. Demsar
Néel Spin Orbit Torque driven antiferromagnetic resonance in Mn$_{2}$Au probed by time-domain THz spectroscopy
arXiv:1802.03199